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Information card for entry 1506296
Preview
| Coordinates | 1506296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C24 H16 N6 S |
|---|---|
| Calculated formula | C24 H16 N6 S |
| SMILES | S(c1nc(n2ccccc12)c1ncccc1)c1nc(n2ccccc12)c1ncccc1 |
| Title of publication | Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties. |
| Authors of publication | Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 24 |
| Pages of publication | 5621 - 5624 |
| a | 8.049 ± 0.004 Å |
| b | 10.286 ± 0.006 Å |
| c | 12.388 ± 0.007 Å |
| α | 90.925 ± 0.007° |
| β | 101.862 ± 0.007° |
| γ | 98.595 ± 0.007° |
| Cell volume | 991.3 ± 0.9 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.353 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506296.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506296.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506296.cif |
| 48164 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506296 via cif-deposit CGI script. |
1506296.cif |
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Users of the data should acknowledge the original authors of the
structural data.